2-Mercaptoethanol → HCID 178525200, compound

HRID 286423Notes

Reaction equation

HRID 286423 reaction equation
[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[OH:1][CH2:2][CH:3]1[N:4]([CH2:8][CH:9]2[N:10]([C:34](=[O:35])[O:36][CH2:37][c:38]3[cH:39][cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]3)[CH2:11][CH:12]([S:14][C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:13]2)[CH2:5][CH2:6][CH2:7]1.[OH:51][C:52]([C:53]([F:54])([F:55])[F:56])=[O:57].[SH:47][CH2:48][CH2:49][OH:50]>>[OH:1][CH2:2][CH:3]1[N:4]([CH2:8][CH:9]2[N:10]([C:34](=[O:35])[O:36][CH2:37][c:38]3[cH:39][cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]3)[CH2:11][CH:12]([SH:14])[CH2:13]2)[CH2:5][CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 15672-MercaptoethanolHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 178525204HCID 178525204, compound

Product 1

HCID 178525200HCID 178525200, compound

Sources & evidence

ORD record
ord-fc7bf853892d4c58baf90a4ef53d4feb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…